N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide

C20H26N2O — CID 109019488

IUPACN-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
SMILESCc1cccc(CNC(=O)CCNc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15(2)18-7-9-19(10-8-18)21-12-11-20(23)22-14-17-6-4-5-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyQOVLBNDGXMDJJE-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.24
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide

N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide (PubChem CID 109019488) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
PubChem CID109019488
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide
SMILESCc1cccc(CNC(=O)CCNc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-15(2)18-7-9-19(10-8-18)21-12-11-20(23)22-14-17-6-4-5-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23)
InChIKeyQOVLBNDGXMDJJE-UHFFFAOYSA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019503
3-(3-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019541
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
3-(2,6-diethylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019490
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975122
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide (CID 109019488) is N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide is Cc1cccc(CNC(=O)CCNc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide?
The InChIKey is QOVLBNDGXMDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)18-7-9-19(10-8-18)21-12-11-20(23)22-14-17-6-4-5-16(3)13-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide?
N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 109019488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).